{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.833333 ] [ 0.333333 0.666667 0.166667 ] [ 0.969224 0.666667 0.416667 ] [ 0.635891 0 0.75 ] [ 0.302557 0.333333 0.083333 ] [ 0.697443 0.030776 0.416667 ] [ 0.364109 0.364109 0.75 ] [ 0.030776 0.697443 0.083333 ] [ 0.333333 0.302557 0.416667 ] [ 1 0.635891 0.75 ] [ 0.666667 0.969224 0.083333 ] [ 0.030776 0.333333 0.583333 ] [ 0.697443 0.666667 0.916667 ] [ 0.364109 0 0.25 ] [ 0.302557 0.969224 0.583333 ] [ 0.969224 0.302557 0.916667 ] [ 0.635891 0.635891 0.25 ] [ 0.666667 0.697443 0.583333 ] [ 0.333333 0.030776 0.916667 ] [ 0 0.364109 0.25 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.04735797956 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }